N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide

C15H8BrF3N2O2 — CID 9203602

IUPACN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)C(F)(F)F
InChIInChI=1S/C15H8BrF3N2O2/c16-9-3-1-8(2-4-9)13-21-11-7-10(5-6-12(11)23-13)20-14(22)15(17,18)19/h1-7H,(H,20,22)
InChIKeyOQTADYHAJPRAHX-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.76
Rot. Bonds2

About N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide

N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 9203602) has the molecular formula C15H8BrF3N2O2 and a molecular weight of 385.14 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID9203602
Molecular FormulaC15H8BrF3N2O2
Molecular Weight385.14 g/mol
Exact Mass383.97
IUPAC NameN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)C(F)(F)F
InChIInChI=1S/C15H8BrF3N2O2/c16-9-3-1-8(2-4-9)13-21-11-7-10(5-6-12(11)23-13)20-14(22)15(17,18)19/h1-7H,(H,20,22)
InChIKeyOQTADYHAJPRAHX-UHFFFAOYSA-N
XLogP4.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3515866
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trichloroacetamide
CID 1348510
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 29244185
4-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5254350
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-yl]-2,2,2-trifluoroacetamide
CID 91676785
2,2,2-trifluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 9185231
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
2-(4-bromophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163406

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide (CID 9203602) is N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)C(F)(F)F.
What is the InChIKey of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OQTADYHAJPRAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O2/c16-9-3-1-8(2-4-9)13-21-11-7-10(5-6-12(11)23-13)20-14(22)15(17,18)19/h1-7H,(H,20,22).
What are the key properties of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide?
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 385.14 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9203602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).